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| Autori principali: | , , , , , , |
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| Natura: | Preprint |
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2024
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| Accesso online: | https://arxiv.org/abs/2412.14321 |
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| _version_ | 1866917893539627008 |
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| author | van Wijk, Thijs G. I. Melan, E. Aylin Joy, Rani Mary Guillaume, Emerick Y. Pobedinskas, Paulius Haenen, Ken Vanpoucke, Danny E. P. |
| author_facet | van Wijk, Thijs G. I. Melan, E. Aylin Joy, Rani Mary Guillaume, Emerick Y. Pobedinskas, Paulius Haenen, Ken Vanpoucke, Danny E. P. |
| contents | Color centers in diamond, such as the GeV center, are promising candidates for quantum-based applications. Here, we investigate the impact of strain on the zero-phonon line (ZPL) position of GeV$^0$. Both hydrostatic and linear strain are modeled using density functional theory for GeV$^0$ concentrations of $1.61$ \% down to $0.10$ \%. We present qualitative and quantitative differences between the two strain types: for hydrostatic tensile and compressive strain, red-and blue-shifted ZPL positions are expected, respectively, with a linear relation between the ZPL shift and the experienced stress. By calculating the ZPL shift for varying GeV$^0$ concentrations, a shift of $0.15$ nm/GPa ($0.38$ meV/GPa) is obtained at experimentally relevant concentrations using a hybrid functional. In contrast, only red-shifted ZPL are found for tensile and compressive linear strain along the $\langle100\rangle$ direction. The calculated ZPL shift exceeds that of hydrostatic strain by at least one order of magnitude, with a significant difference between tensile and compressive strains: $3.2$ and $4.8$ nm/GPa ($8.1$ and $11.7$ meV/GPa), respectively. In addition, a peak broadening is expected due to the lifted degeneracy of the GeV$^0$ $e_g$ state, calculated to be about $6$ meV/GPa. These calculated results are placed in perspective with experimental observations, showing values of ZPL shifts and splittings of comparable magnitude. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2412_14321 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | The impact of strain on the GeV-color center in diamond van Wijk, Thijs G. I. Melan, E. Aylin Joy, Rani Mary Guillaume, Emerick Y. Pobedinskas, Paulius Haenen, Ken Vanpoucke, Danny E. P. Materials Science Computational Physics Color centers in diamond, such as the GeV center, are promising candidates for quantum-based applications. Here, we investigate the impact of strain on the zero-phonon line (ZPL) position of GeV$^0$. Both hydrostatic and linear strain are modeled using density functional theory for GeV$^0$ concentrations of $1.61$ \% down to $0.10$ \%. We present qualitative and quantitative differences between the two strain types: for hydrostatic tensile and compressive strain, red-and blue-shifted ZPL positions are expected, respectively, with a linear relation between the ZPL shift and the experienced stress. By calculating the ZPL shift for varying GeV$^0$ concentrations, a shift of $0.15$ nm/GPa ($0.38$ meV/GPa) is obtained at experimentally relevant concentrations using a hybrid functional. In contrast, only red-shifted ZPL are found for tensile and compressive linear strain along the $\langle100\rangle$ direction. The calculated ZPL shift exceeds that of hydrostatic strain by at least one order of magnitude, with a significant difference between tensile and compressive strains: $3.2$ and $4.8$ nm/GPa ($8.1$ and $11.7$ meV/GPa), respectively. In addition, a peak broadening is expected due to the lifted degeneracy of the GeV$^0$ $e_g$ state, calculated to be about $6$ meV/GPa. These calculated results are placed in perspective with experimental observations, showing values of ZPL shifts and splittings of comparable magnitude. |
| title | The impact of strain on the GeV-color center in diamond |
| topic | Materials Science Computational Physics |
| url | https://arxiv.org/abs/2412.14321 |